3,5-dibromo-4-prop-2-enoxybenzenesulfonyl chloride

C9H7Br2ClO3S — CID 82909661

IUPAC3,5-dibromo-4-prop-2-enoxybenzenesulfonyl chloride
SMILESC=CCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br
InChIInChI=1S/C9H7Br2ClO3S/c1-2-3-15-9-7(10)4-6(5-8(9)11)16(12,13)14/h2,4-5H,1,3H2
InChIKeyMNIBYMIJOYJKKP-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.70
Rot. Bonds4

About 3,5-dibromo-4-prop-2-enoxybenzenesulfonyl chloride

3,5-dibromo-4-prop-2-enoxybenzenesulfonyl chloride (PubChem CID 82909661) has the molecular formula C9H7Br2ClO3S and a molecular weight of 390.48 g/mol. Its IUPAC name is 3,5-dibromo-4-prop-2-enoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name3,5-dibromo-4-prop-2-enoxybenzenesulfonyl chloride
PubChem CID82909661
Molecular FormulaC9H7Br2ClO3S
Molecular Weight390.48 g/mol
Exact Mass387.82
IUPAC Name3,5-dibromo-4-prop-2-enoxybenzenesulfonyl chloride
SMILESC=CCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br
InChIInChI=1S/C9H7Br2ClO3S/c1-2-3-15-9-7(10)4-6(5-8(9)11)16(12,13)14/h2,4-5H,1,3H2
InChIKeyMNIBYMIJOYJKKP-UHFFFAOYSA-N
XLogP3.70
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3,5-dibromo-4-prop-2-enoxybenzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dibromo-4-(3,5-dibromo-4-prop-2-enoxyphenyl)sulfonylphenolate
CID 3854389
3,5-dibromo-4-ethoxybenzenesulfonyl chloride
CID 43134474
3,5-dibromo-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride
CID 61057682
3,5-dibromo-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride
CID 82910807
3,5-dibromo-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonyl chloride
CID 115942390
3,5-dibromo-4-(3-ethoxypropoxy)benzenesulfonyl chloride
CID 65176689
1,3-dibromo-5-[(E)-2-nitroethenyl]-2-prop-2-enoxybenzene
CID 126375934
3-prop-2-enoxybenzenesulfonyl chloride
CID 61374246
3,5-dibromo-4-[(E)-3-chloroprop-2-enoxy]benzenesulfonamide
CID 82915114
3,5-dibromo-4-(3-methoxy-3-methylbutoxy)benzenesulfonyl chloride
CID 103020676
3,5-dibromo-4-[2-(diethylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82913649
3,5-dibromo-4-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride
CID 82910242

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-prop-2-enoxybenzenesulfonyl chloride?
The IUPAC name of 3,5-dibromo-4-prop-2-enoxybenzenesulfonyl chloride (CID 82909661) is 3,5-dibromo-4-prop-2-enoxybenzenesulfonyl chloride.
What is the SMILES notation for 3,5-dibromo-4-prop-2-enoxybenzenesulfonyl chloride?
The canonical SMILES for 3,5-dibromo-4-prop-2-enoxybenzenesulfonyl chloride is C=CCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br.
What is the InChIKey of 3,5-dibromo-4-prop-2-enoxybenzenesulfonyl chloride?
The InChIKey is MNIBYMIJOYJKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2ClO3S/c1-2-3-15-9-7(10)4-6(5-8(9)11)16(12,13)14/h2,4-5H,1,3H2.
What are the key properties of 3,5-dibromo-4-prop-2-enoxybenzenesulfonyl chloride?
3,5-dibromo-4-prop-2-enoxybenzenesulfonyl chloride has a molecular weight of 390.48 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-prop-2-enoxybenzenesulfonyl chloride is sourced from PubChem (CID 82909661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).